4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide

C20H25N2O3+ — CID 9148385

IUPAC4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-25-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/p+1/t19-/m0/s1
InChIKeyRSASPPOVAIKUHK-IBGZPJMESA-O
MW341.43 g/mol
LogP1.08
Rot. Bonds6

About 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide

4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide (PubChem CID 9148385) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
PubChem CID9148385
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-25-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/p+1/t19-/m0/s1
InChIKeyRSASPPOVAIKUHK-IBGZPJMESA-O
XLogP1.08
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 9149566
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
4-methoxy-N-[(1S)-1-phenylbut-3-ynyl]benzamide
CID 97063453
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxophthalazine-1-carboxamide
CID 9149237
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide (CID 9148385) is 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide is COc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The InChIKey is RSASPPOVAIKUHK-IBGZPJMESA-O. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-25-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/p+1/t19-/m0/s1.
What are the key properties of 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 9148385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).